Dataset

Bistrifluron; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01120958 contains the MS2 mass spectrum of Bistrifluron with the InChIkey YNKFZRGTXAPYFD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H7ClF8N2O2/c17-12-7(16(23,24)25)4-6(15(20,21)22)5-10(12)26-14(29)27-13(28)11-8(18)2-1-3-9(11)19/h1-5H,(H2,26,27,28,29)
SMILES C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=CC(=C2Cl)C(F)(F)F)C(F)(F)F)F
InChI Key YNKFZRGTXAPYFD-UHFFFAOYSA-N
Molecular Formula C16H7ClF8N2O2
Exact Mass 446.007 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01120958
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • N-[[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29436079 surechembl
    65405 surechembl
    10275455 pubchem
    0806M8CX7O fdasrs
    PD199295 probes_and_drugs
    XUXNOT CCDC
    Molport-051-699-908 molport
    The data in this table is sourced from UniChem at EBI.